N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine

C11H26N2O — CID 22069275

IUPACN-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCOC(C)NCCCN(CC)CC
InChIInChI=1S/C11H26N2O/c1-5-13(6-2)10-8-9-12-11(4)14-7-3/h11-12H,5-10H2,1-4H3
InChIKeyKRAAODHPUDYPSF-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.69
Rot. Bonds9

About N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine

N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 22069275) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID22069275
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCOC(C)NCCCN(CC)CC
InChIInChI=1S/C11H26N2O/c1-5-13(6-2)10-8-9-12-11(4)14-7-3/h11-12H,5-10H2,1-4H3
InChIKeyKRAAODHPUDYPSF-UHFFFAOYSA-N
XLogP1.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine (CID 22069275) is N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine is CCOC(C)NCCCN(CC)CC.
What is the InChIKey of N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is KRAAODHPUDYPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-13(6-2)10-8-9-12-11(4)14-7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine?
N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 22069275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).